1-cyclohexyl-4-methoxybutan-2-amine

C11H23NO — CID 62605711

IUPAC1-cyclohexyl-4-methoxybutan-2-amine
SMILESCOCCC(N)CC1CCCCC1
InChIInChI=1S/C11H23NO/c1-13-8-7-11(12)9-10-5-3-2-4-6-10/h10-11H,2-9,12H2,1H3
InChIKeyWTBPAFHTZQVUGP-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.32
Rot. Bonds5

About 1-cyclohexyl-4-methoxybutan-2-amine

1-cyclohexyl-4-methoxybutan-2-amine (PubChem CID 62605711) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 1-cyclohexyl-4-methoxybutan-2-amine.

Molecular Properties

Compound Name1-cyclohexyl-4-methoxybutan-2-amine
PubChem CID62605711
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name1-cyclohexyl-4-methoxybutan-2-amine
SMILESCOCCC(N)CC1CCCCC1
InChIInChI=1S/C11H23NO/c1-13-8-7-11(12)9-10-5-3-2-4-6-10/h10-11H,2-9,12H2,1H3
InChIKeyWTBPAFHTZQVUGP-UHFFFAOYSA-N
XLogP2.32
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-methoxybutan-2-amine?
The IUPAC name of 1-cyclohexyl-4-methoxybutan-2-amine (CID 62605711) is 1-cyclohexyl-4-methoxybutan-2-amine.
What is the SMILES notation for 1-cyclohexyl-4-methoxybutan-2-amine?
The canonical SMILES for 1-cyclohexyl-4-methoxybutan-2-amine is COCCC(N)CC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-4-methoxybutan-2-amine?
The InChIKey is WTBPAFHTZQVUGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-13-8-7-11(12)9-10-5-3-2-4-6-10/h10-11H,2-9,12H2,1H3.
What are the key properties of 1-cyclohexyl-4-methoxybutan-2-amine?
1-cyclohexyl-4-methoxybutan-2-amine has a molecular weight of 185.31 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-methoxybutan-2-amine is sourced from PubChem (CID 62605711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).